2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-3-ethyl-4-oxidanylidene-3-phenoxy-2-pyrrolidin-1-yl-pentanoic acid

Systemtic Name: 2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-3-ethyl-4-oxidanylidene-3-phenoxy-2-pyrrolidin-1-yl-pentanoic acid Openeye Name: 3-ethyl-2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-4-oxo-3-phenoxy-2-pyrrolidin-1-yl-pentanoic acid CAS Name: 3-ethyl-2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-4-oxo-3-phenoxy-2-(1-pyrrolidinyl)pentanoic acid IUPAC Name: 3-ethyl-2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-4-oxo-3-phenoxy-2-pyrrolidin-1-ylpentanoic acid Traditional Name: 3-ethyl-2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-4-keto-3-phenoxy-2-pyrrolidino-valeric acid Formula: C27H32FN3O6 MolecularWeight: 513.557883

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C)(C(C(=O)O)(N1CCCC1)N2CC3=CC(=C(C(=C3C2=N)F)OC)OC)OC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)C)(C(C(=O)O)(N1CCCC1)N2CC3=CC(=C(C(=C3C2=N)F)OC)OC)OC4=CC=CC=C4

InChI

InChI=1S/C27H32FN3O6/c1-5-26(17(2)32,37-19-11-7-6-8-12-19)27(25(33)34,30-13-9-10-14-30)31-16-18-15-20(35-3)23(36-4)22(28)21(18)24(31)29/h6-8,11-12,15,29H,5,9-10,13-14,16H2,1-4H3,(H,33,34)